5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile

C23H26N4OS — CID 22502585

IUPAC5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile
SMILESCCN1CCN(c2nc(-c3ccc(CCCO)c(C#N)c3)cc3ccsc23)CC1
InChIInChI=1S/C23H26N4OS/c1-2-26-8-10-27(11-9-26)23-22-19(7-13-29-22)15-21(25-23)18-6-5-17(4-3-12-28)20(14-18)16-24/h5-7,13-15,28H,2-4,8-12H2,1H3
InChIKeyNVFDHSYMGGIIEB-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.90
Rot. Bonds6

About 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile

5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile (PubChem CID 22502585) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile.

Molecular Properties

Compound Name5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile
PubChem CID22502585
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile
SMILESCCN1CCN(c2nc(-c3ccc(CCCO)c(C#N)c3)cc3ccsc23)CC1
InChIInChI=1S/C23H26N4OS/c1-2-26-8-10-27(11-9-26)23-22-19(7-13-29-22)15-21(25-23)18-6-5-17(4-3-12-28)20(14-18)16-24/h5-7,13-15,28H,2-4,8-12H2,1H3
InChIKeyNVFDHSYMGGIIEB-UHFFFAOYSA-N
XLogP3.90
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]butan-2-one
CID 22503295
(2S)-2-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-1-ol
CID 59871010
4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-N-propylbenzamide;dihydrochloride
CID 22503547
(2R)-1-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenoxy]propan-2-ol
CID 59871011
4-[5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-pyridinyl]morpholine;hydrochloride
CID 22502727
7-(4-ethylpiperazin-1-yl)-5-[6-(2-methoxyethoxy)-3-pyridinyl]thieno[2,3-c]pyridine;hydrochloride
CID 22503644
(2R,4S)-2-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]oxan-4-ol
CID 20720195
7-(4-ethylpiperazin-1-yl)-5-[6-(1-methoxypropan-2-yloxy)-3-pyridinyl]thieno[2,3-c]pyridine
CID 20720222
[cyclohexyl-[4-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]phenyl]methyl] acetate
CID 69183239
2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]acetonitrile
CID 22502988
4-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonitrile;4-(4-ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile
CID 161179236
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083

Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile?
The IUPAC name of 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile (CID 22502585) is 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile.
What is the SMILES notation for 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile?
The canonical SMILES for 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile is CCN1CCN(c2nc(-c3ccc(CCCO)c(C#N)c3)cc3ccsc23)CC1.
What is the InChIKey of 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile?
The InChIKey is NVFDHSYMGGIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-2-26-8-10-27(11-9-26)23-22-19(7-13-29-22)15-21(25-23)18-6-5-17(4-3-12-28)20(14-18)16-24/h5-7,13-15,28H,2-4,8-12H2,1H3.
What are the key properties of 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile?
5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile has a molecular weight of 406.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-ethylpiperazin-1-yl)thieno[2,3-c]pyridin-5-yl]-2-(3-hydroxypropyl)benzonitrile is sourced from PubChem (CID 22502585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).